(Q105279975)

English

[(1S,2S,5S,6R,8R,9R,10S,11R,12R,15R,18R)-9,10,15,18-tetrahydroxy-6,12-dimethyl-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

410.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₈

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canonical SMILES

O=C(OC1(C)CCC(O)C23COC(O)(C(O)C12)C45C(=O)C(C)C(CCC43)C5O)C

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isomeric SMILES

CC(=O)O[C@]1(C)CC[C@@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@@H]21)[C@]12C(=O)[C@H](C)[C@H](CC[C@@H]31)[C@H]2O

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found in taxon

Isodon rosthornii

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stated in

Bioactive ent-kaurane diterpenoids from Isodon rosthornii

Identifiers

InChI

InChI=1S/C21H30O8/c1-9-11-4-5-12-19-8-28-21(27,20(12,15(9)24)16(11)25)17(26)14(19)18(3,29-10(2)22)7-6-13(19)23/h9,11-14,16-17,23,25-27H,4-8H2,1-3H3/t9-,11+,12+,13-,14-,16-,17+,18-,19-,20+,21+/m1/s1

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InChIKey

UVMYPZYNZHRTEC-HFPPNSAESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

UVMYPZYNZHRTEC-HFPPNSAESA-N

1 reference

(Q105279975)

[(1S,2S,5S,6R,8R,9R,10S,11R,12R,15R,18R)-9,10,15,18-tetrahydroxy-6,12-dimethyl-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl] acetate

Statements

Identifiers

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